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Details

Stereochemistry ACHIRAL
Molecular Formula C12H6Cl4O2
Molecular Weight 323.987
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3',5,5'-TETRACHLORO-4,4'-BIPHENYLDIOL

SMILES

OC1=C(Cl)C=C(C=C1Cl)C2=CC(Cl)=C(O)C(Cl)=C2

InChI

InChIKey=YCYDXOVJXVALHY-UHFFFAOYSA-N
InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H

HIDE SMILES / InChI

Molecular Formula C12H6Cl4O2
Molecular Weight 323.987
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Potent inhibition of estrogen sulfotransferase by hydroxylated PCB metabolites: a novel pathway explaining the estrogenic activity of PCBs.
2000 May
Enzymatic degradation of 2,6-dichlorophenol by horseradish peroxidase: UV-visible and mass spectrometry characterization of the reaction products [corrected].
2002 Sep 30
Sulfation of hydroxychlorobiphenyls. Molecular cloning, expression, and functional characterization of zebrafish SULT1 sulfotransferases.
2003 Jun
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Substance Class Chemical
Created
by admin
on Sat Dec 16 00:46:14 UTC 2023
Edited
by admin
on Sat Dec 16 00:46:14 UTC 2023
Record UNII
OHS8K6J04I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3',5,5'-TETRACHLORO-4,4'-BIPHENYLDIOL
Systematic Name English
4,4'-BIPHENYLDIOL, 3,3',5,5'-TETRACHLORO-
Systematic Name English
3,3',5,5'-TETRACHLORO(1,1'-BIPHENYL)-4,4'-DIOL
Systematic Name English
(1,1'-BIPHENYL)-4,4'-DIOL, 3,3',5,5'-TETRACHLORO-
Systematic Name English
4,4'-DIHYDROXY-3,3',5,5'-TETRACHLOROBIPHENYL
Systematic Name English
NSC-97348
Code English
Code System Code Type Description
CAS
13049-13-3
Created by admin on Sat Dec 16 00:46:14 UTC 2023 , Edited by admin on Sat Dec 16 00:46:14 UTC 2023
PRIMARY
CHEBI
35434
Created by admin on Sat Dec 16 00:46:14 UTC 2023 , Edited by admin on Sat Dec 16 00:46:14 UTC 2023
PRIMARY
PUBCHEM
97032
Created by admin on Sat Dec 16 00:46:14 UTC 2023 , Edited by admin on Sat Dec 16 00:46:14 UTC 2023
PRIMARY
DRUG BANK
DB03346
Created by admin on Sat Dec 16 00:46:14 UTC 2023 , Edited by admin on Sat Dec 16 00:46:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID5022352
Created by admin on Sat Dec 16 00:46:14 UTC 2023 , Edited by admin on Sat Dec 16 00:46:14 UTC 2023
PRIMARY
FDA UNII
OHS8K6J04I
Created by admin on Sat Dec 16 00:46:14 UTC 2023 , Edited by admin on Sat Dec 16 00:46:14 UTC 2023
PRIMARY
NSC
97348
Created by admin on Sat Dec 16 00:46:14 UTC 2023 , Edited by admin on Sat Dec 16 00:46:14 UTC 2023
PRIMARY